1-[(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]piperidin-1-yl]-2-thiophen-3-yl-ethanone

Systemtic Name: 1-[(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]piperidin-1-yl]-2-thiophen-3-yl-ethanone Openeye Name: 1-[(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-1-piperidyl]-2-(3-thienyl)ethanone CAS Name: 1-[(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-1-piperidinyl]-2-(3-thiophenyl)ethanone IUPAC Name: 1-[(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]piperidin-1-yl]-2-thiophen-3-ylethanone Traditional Name: 1-[(3S)-3-(4-piperonylpiperazin-1-ium-1-yl)piperidino]-2-(3-thienyl)ethanone Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CC2=CSC=C2)[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)CC2=CSC=C2)[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H29N3O3S/c27-23(13-19-5-11-30-16-19)26-6-1-2-20(15-26)25-9-7-24(8-10-25)14-18-3-4-21-22(12-18)29-17-28-21/h3-5,11-12,16,20H,1-2,6-10,13-15,17H2/p+1/t20-/m0/s1